Molecule

ID:92413

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₇N₃O
Molecular Mass
265.39438
Exact Mass
265.2154125
Charge
0
InChI
InChI=1S/C15H27N3O/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6/h7-8,19H,9-11H2,1-6H3
InChIKey
AHDSRXYHVZECER-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1cc(CN(C)C)c(c(c1)CN(C)C)O)C
Isomeric Smiles
Oc1c(cc(cc1CN(C)C)CN(C)C)CN(C)C
Calculated Properties
JChem
Acid pKa
7.004478
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-7.3093905
LogD (pH = 7.4)
-2.6783752
Log P
-0.1597625
Molar Refractivity
83.667
Polarizability
32.101646
Polar Surface Area
29.95
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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